3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one

C19H29N3O3S — CID 78860534

IUPAC3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(21-10-5-2-6-11-21)9-12-20-13-15-22(16-14-20)26(24,25)17-18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2
InChIKeyHYDQGFDTURSHOW-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.54
Rot. Bonds6

About 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one

3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 78860534) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID78860534
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N3O3S/c23-19(21-10-5-2-6-11-21)9-12-20-13-15-22(16-14-20)26(24,25)17-18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2
InChIKeyHYDQGFDTURSHOW-UHFFFAOYSA-N
XLogP1.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-chloroethanone
CID 156907199
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
2-[4-(1-benzylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55686496
5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide
CID 54583138
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 78862170
1-(4-benzylsulfonylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 9298890
1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
CID 52687569
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
3-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 32649128
1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-ethylphenyl)butane-1,4-dione
CID 27757239
1-(4-benzylsulfonyl-1,4-diazepan-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 110810521

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one (CID 78860534) is 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one is O=C(CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is HYDQGFDTURSHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(21-10-5-2-6-11-21)9-12-20-13-15-22(16-14-20)26(24,25)17-18-7-3-1-4-8-18/h1,3-4,7-8H,2,5-6,9-17H2.
What are the key properties of 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one?
3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 379.53 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylsulfonylpiperazin-1-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78860534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).